Delamanid

Delamanid

SCHEMBL57792

CC1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 1.00
SLC6A2 P23975 1/20 1.00
SLC6A4 P31645 1/20 1.00
KCNH2 Q12809 7/20 0.77
CHRM1 P11229 1/20 0.45
SCN5A Q14524 2/20 0.38
CACNA1C Q13936 1/20 0.38
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ACACB O00763 2/20 0.35
SCN9A Q15858 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
FFAR1 O14842 2/20 0.34
FPR2 P25090 2/20 0.33
PROKR1 Q8TCW9 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Delamanid SCHEMBL57791 1.00 PTGS1 (1.00) PTGS1SLC6A2SLC6A4KCNH2CHRM1
Delamanid SCHEMBL1046813 1.00 PTGS1 (1.00) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2097770 0.94 PTGS1 (0.89) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2097771 0.94 PTGS1 (0.89) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2091599 0.94 PTGS1 (0.88) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2091602 0.94 PTGS1 (0.88) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL5540814 0.92 PTGS1 (0.86) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL5544729 0.92 PTGS1 (0.86) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL5540819 0.92 PTGS1 (0.86) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL5542627 0.92 KCNH2 (0.88) PTGS1SLC6A2SLC6A4KCNH2CHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US claimed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP claimed
EP-2495563-A1 DIAGNOSTIC AGENT FOR INFECTIOUS DISEASES Fujifilm RI Pharma Co., Ltd. (JP) 2012-09-05 EP claimed
US-20120219500-A1 DIAGNOSTIC AGENT FOR INFECTIOUS DISEASES FUJIFILM RI PHARMA CO., LTD. (JP) 2012-08-30 US claimed
US-7943623-B2 Pharmaceutical composition comprising 2,3-dihydro-6-nitroimidazo [2,1-B] oxazole derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-05-17 US claimed
EP-1906926-B1 PHARMACEUTICAL COMPOSITION COMPRISING 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-B]OXAZOLE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2010-12-01 EP claimed
US-20100130508-A1 PHARMACEUTICAL COMPOSITION COMPRISING 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
US-20250382273-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS INST NAT SANTE RECH MED (FR) 2025-12-18 US disclosed
WO-2025061104-A1 PHARMACEUTICAL COMBINATION AND USE 广州嘉越医药科技有限公司 2025-03-27 WO disclosed
EP-4460500-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2024-11-13 EP disclosed
CN-118660885-A Norbornene analogs and their use as potentiators of antitubercular drugs 国家医疗保健研究所 2024-09-17 CN disclosed
WO-2023131649-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-07-13 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-13 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1553088-A1 1-SUBSTITUTED 4-NITROIMIDAZOLE COMPOUND AND PROCESS FOR PRODUCING THE SAME Otsuka Pharmaceutical Company, Limited (JP) 2005-07-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PTGS1 3838/4885SLC6A2 3396/4885SLC6A4 4191/4885
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same CBR1, CBR3, DCXR PTGS1 899/4885SLC6A2 2755/4885SLC6A4 1879/4885
US-20250382273-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS BBOX1, NDUFB6, NDUFB5 PTGS1 1442/4885SLC6A2 1976/4885SLC6A4 2397/4885
US-20120219500-A1 DIAGNOSTIC AGENT FOR INFECTIOUS DISEASES NISCH, CNDP2, MYADM PTGS1 555/4885SLC6A2 3321/4885SLC6A4 2771/4885
US-20100130508-A1 PHARMACEUTICAL COMPOSITION COMPRISING 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE DERIVATIVES CYP3A7, HSD3B1, CYP2D6 PTGS1 2192/4885SLC6A2 1948/4885SLC6A4 1686/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.